2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide

C18H28N6O2 — CID 175694699

IUPAC2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide
SMILESCCC(c1ncc[nH]1)C(CCCC(N)=O)(C(N)=O)C(CC)c1ncc[nH]1
InChIInChI=1S/C18H28N6O2/c1-3-12(15-21-8-9-22-15)18(17(20)26,7-5-6-14(19)25)13(4-2)16-23-10-11-24-16/h8-13H,3-7H2,1-2H3,(H2,19,25)(H2,20,26)(H,21,22)(H,23,24)
InChIKeyLBLSYJFNNQGOES-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.95
Rot. Bonds11

About 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide

2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide (PubChem CID 175694699) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide.

Molecular Properties

Compound Name2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide
PubChem CID175694699
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide
SMILESCCC(c1ncc[nH]1)C(CCCC(N)=O)(C(N)=O)C(CC)c1ncc[nH]1
InChIInChI=1S/C18H28N6O2/c1-3-12(15-21-8-9-22-15)18(17(20)26,7-5-6-14(19)25)13(4-2)16-23-10-11-24-16/h8-13H,3-7H2,1-2H3,(H2,19,25)(H2,20,26)(H,21,22)(H,23,24)
InChIKeyLBLSYJFNNQGOES-UHFFFAOYSA-N
XLogP1.95
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-5-amino-2-[1-(1H-imidazol-2-yl)propylcarbamoylamino]-5-oxopentanoic acid
CID 104871726
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate
CID 175546665
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
butyl N-[(1S)-1-(1H-imidazol-2-yl)ethyl]carbamate
CID 139947377
2-butan-2-yl-1H-imidazole;ethane
CID 156722843
2-(1H-imidazol-2-yl)pentanoic acid
CID 122588172
2-amino-5-(1H-imidazol-2-ylsulfanyl)-2-methylpentanamide
CID 107781855
2,2-di(propan-2-yl)decanediamide
CID 174837671
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide?
The IUPAC name of 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide (CID 175694699) is 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide.
What is the SMILES notation for 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide?
The canonical SMILES for 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide is CCC(c1ncc[nH]1)C(CCCC(N)=O)(C(N)=O)C(CC)c1ncc[nH]1.
What is the InChIKey of 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide?
The InChIKey is LBLSYJFNNQGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-3-12(15-21-8-9-22-15)18(17(20)26,7-5-6-14(19)25)13(4-2)16-23-10-11-24-16/h8-13H,3-7H2,1-2H3,(H2,19,25)(H2,20,26)(H,21,22)(H,23,24).
What are the key properties of 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide?
2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide has a molecular weight of 360.46 g/mol, XLogP of 1.95, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide is sourced from PubChem (CID 175694699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).